4-[(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one

C15H25N3OS — CID 106383615

IUPAC4-[(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)C1CNC(C)(C2CC2)CN1Cc1csc(=O)[nH]1
InChIInChI=1S/C15H25N3OS/c1-10(2)13-6-16-15(3,11-4-5-11)9-18(13)7-12-8-20-14(19)17-12/h8,10-11,13,16H,4-7,9H2,1-3H3,(H,17,19)
InChIKeyKMDJLFYFYGSFEX-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.03
Rot. Bonds4

About 4-[(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one

4-[(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106383615) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 4-[(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one
PubChem CID106383615
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name4-[(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)C1CNC(C)(C2CC2)CN1Cc1csc(=O)[nH]1
InChIInChI=1S/C15H25N3OS/c1-10(2)13-6-16-15(3,11-4-5-11)9-18(13)7-12-8-20-14(19)17-12/h8,10-11,13,16H,4-7,9H2,1-3H3,(H,17,19)
InChIKeyKMDJLFYFYGSFEX-UHFFFAOYSA-N
XLogP2.03
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one (CID 106383615) is 4-[(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one is CC(C)C1CNC(C)(C2CC2)CN1Cc1csc(=O)[nH]1.
What is the InChIKey of 4-[(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is KMDJLFYFYGSFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-10(2)13-6-16-15(3,11-4-5-11)9-18(13)7-12-8-20-14(19)17-12/h8,10-11,13,16H,4-7,9H2,1-3H3,(H,17,19).
What are the key properties of 4-[(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one?
4-[(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 295.45 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106383615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).